SCHEMBL6505733

SCHEMBL6505733

CCOC(=O)C(=O)c1c(-c2cc3ccccc3o2)c(-c2ccccc2)c2n1CC(C)(C)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.45
ALOX5 P09917 4/20 0.44
PTGS1 P23219 4/20 0.44
ALOX5AP P20292 1/20 0.41
PTGS2 P35354 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6496837 0.81 ALOX5 (0.47) ALOX5PTGS1PTGS2
SCHEMBL6505736 0.80 ALOX5 (0.66) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL13844797 0.80 PTGES (0.61) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL4148109 0.79 ALOX5 (0.68) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6503622 0.71 PTGES (0.49) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL6503280 0.69 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL14413899 0.66 PTGES (0.67) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL8397926 0.66 ALOX5 (0.45) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL12203021 0.65 PTGES (0.65) PTGESALOX5PTGS1ALOX5APPTGS2
SCHEMBL7637224 0.65 RAB9A (0.56)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878738-B1 Anti-inflammatory oxo derivatives and hydroxy derivatives of pyrrolizines, and their pharmaceutical use MERCKLE GMBH (DE) 2005-04-12 US disclosed